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EVODEX.1-R5397

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C@:2]12[C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@@:15]3([H:35])[C@:16]1([H:36])[C:17]([H:37])([H:38])[C@@:18]1([H:39])[O:19][C@@:20]21[H:40])([H:41])([H:42])[H:43].[H][O:21][H:44]>>[H][O:19][C@:18]1([H:39])[C:17]([H:37])([H:38])[C@:16]2([H:36])[C@:2]([C:1]([H:41])([H:42])[H:43])([C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@:15]32[H:35])[C@:20]1([O:21][H:44])[H:40]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
236134 epoxyestratrienol + H2O = dihydroxyestratrienol False Homo sapiens P07099 uniprot 3.3.2.9

Derived Partial Reactions

EVODEX.1-P4562

[C:1]([C@:2]12[C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@@:15]3([H:35])[C@:16]1([H:36])[C:17]([H:37])([H:38])[C@@:18]1([H:39])[O:19][C@@:20]21[H:40])([H:41])([H:42])[H:43]>>[H]O[C@:20]1([H:40])[C@@:2]2([C:1]([H:41])([H:42])[H:43])[C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@@:15]3([H:35])[C@:16]2([H:36])[C:17]([H:37])([H:38])[C@:18]1([O:19][H])[H:39]

[C:1]([C@:2]12[C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@@:15]3([H:35])[C@:16]1([H:36])[C:17]([H:37])([H:38])[C@@:18]1([H:39])[O:19][C@@:20]21[H:40])([H:41])([H:42])[H:43]>>[H]O[C@:20]1([H:40])[C@@:2]2([C:1]([H:41])([H:42])[H:43])[C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@@:15]3([H:35])[C@:16]2([H:36])[C:17]([H:37])([H:38])[C@:18]1([O:19][H])[H:39]